ZEOMICS: Zeolites and Microporous Structures Characterization

Eric First, Chrysanthos Gounaris, James Wei & Christodoulos Floudas
ZEOMICS is an automated computational method for characterizing the three-dimensional porous networks of microporous materials, such as zeolites. The original database was developed by Princeton University and includes information about topological features for 204 unique zeolite frameworks built from the International Zeolite Associations (IZA) structural database . Data is generated using several algorithmic steps applied to a structural CIF. The dataset includes information on pore size distributions, accessible surface area and volume as a function...
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